8FJM
Crystal Structure of the Trypanosoma brucei DOT1A histone H3K76 methyltransferase in complex with AdoHcy - P212121 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.934, 81.625, 170.115 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.810 - 1.900 |
| R-factor | 0.1612 |
| Rwork | 0.160 |
| R-free | 0.18550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.749 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.810 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.053 | 0.531 |
| Number of reflections | 47091 | 4561 |
| <I/σ(I)> | 14.1 | 1.5 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 9.9 | 6.9 |
| CC(1/2) | 0.995 | 0.963 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 10% (w/v) PEG 3,000, 200 mM calcium acetate, 100 mM Tris-HCl, pH 7.0 |
